5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole

C18H14N6S — CID 135966197

IUPAC5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
SMILESc1ccc(-n2cc(-c3nc4c(cnn4Cc4cccs4)[nH]3)cn2)cc1
InChIInChI=1S/C18H14N6S/c1-2-5-14(6-3-1)23-11-13(9-19-23)17-21-16-10-20-24(18(16)22-17)12-15-7-4-8-25-15/h1-11H,12H2,(H,21,22)
InChIKeyAAXPODLZJBGUPJ-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.72
Rot. Bonds4

About 5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole

5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135966197) has the molecular formula C18H14N6S and a molecular weight of 346.42 g/mol. Its IUPAC name is 5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135966197
Molecular FormulaC18H14N6S
Molecular Weight346.42 g/mol
Exact Mass346.10
IUPAC Name5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
SMILESc1ccc(-n2cc(-c3nc4c(cnn4Cc4cccs4)[nH]3)cn2)cc1
InChIInChI=1S/C18H14N6S/c1-2-5-14(6-3-1)23-11-13(9-19-23)17-21-16-10-20-24(18(16)22-17)12-15-7-4-8-25-15/h1-11H,12H2,(H,21,22)
InChIKeyAAXPODLZJBGUPJ-UHFFFAOYSA-N
XLogP3.72
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71450204
US8754233, (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine
CID 66768033
5-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1H-thieno[2,3-d]pyrazole
CID 68355550
5,8-dimethyl-2-(2-thiophen-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 129051788
US9096589, 8-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67257821
5-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258155
US8927738, 5,8-Dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 71059830
6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
CID 6411852
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-imidazol-4-yl)ethanamine
CID 16190928
2-Phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127035004
2-Phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127037440
2-(1H-indol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
CID 162658499

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole (CID 135966197) is 5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole is c1ccc(-n2cc(-c3nc4c(cnn4Cc4cccs4)[nH]3)cn2)cc1.
What is the InChIKey of 5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is AAXPODLZJBGUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6S/c1-2-5-14(6-3-1)23-11-13(9-19-23)17-21-16-10-20-24(18(16)22-17)12-15-7-4-8-25-15/h1-11H,12H2,(H,21,22).
What are the key properties of 5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 346.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpyrazol-4-yl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135966197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).